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Information card for entry 1560719
Preview
| Coordinates | 1560719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H45 N8 S6 |
|---|---|
| Calculated formula | C45 H45 N8 S6 |
| Title of publication | Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages |
| Authors of publication | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 14 |
| Pages of publication | 5315 - 5318 |
| a | 12.8314 ± 0.0003 Å |
| b | 15.7916 ± 0.0003 Å |
| c | 21.178 ± 0.0005 Å |
| α | 90° |
| β | 92.517 ± 0.001° |
| γ | 90° |
| Cell volume | 4287.12 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265924 (current) | 2021-06-05 | cif/ Updating files of 1560718, 1560719, 1560720 Original log message: Adding full bibliography for 1560718--1560720.cif. |
1560719.cif |
| 262316 | 2021-02-28 | cif/ Adding structures of 1560718, 1560719, 1560720 via cif-deposit CGI script. |
1560719.cif |
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Users of the data should acknowledge the original authors of the
structural data.